>compound trans-Cinnamaldehyde_trans-Cinnamaldehyde
#instrument UPLC Q-Tof Premier, Waters
>formula C9H8O
#smiles [H]C(=O)C=Cc(c1)cccc1
#RECORD LC-ESI-QTOF_train_data/PR100059.txt
>charge 1
>ionization [M+H]+
>parentmass 133.06531

>collision 5-60
55.0195 25.12
77.0398 45.99
79.0555 36.26
91.0541 24.42
103.0552 44.97
105.0707 83.3
115.0545 215.8
117.9612 15.73
133.0653 151.2

